9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole

C52H34N4O — CID 142569011

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole
SMILESC1=CC2CC2c2c1oc1c(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)c3)cccc21
InChIInChI=1S/C52H34N4O/c1-3-13-32(14-4-1)50-53-51(33-15-5-2-6-16-33)55-52(54-50)37-19-10-20-38(30-37)56-45-26-8-7-21-41(45)42-24-11-22-39(48(42)56)34-17-9-18-35(29-34)40-23-12-25-43-47-44-31-36(44)27-28-46(47)57-49(40)43/h1-30,36,44H,31H2
InChIKeyWSOAVPXHTORZMH-UHFFFAOYSA-N
MW730.87 g/mol
LogP13.18
Rot. Bonds6

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole (PubChem CID 142569011) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole
PubChem CID142569011
Molecular FormulaC52H34N4O
Molecular Weight730.87 g/mol
Exact Mass730.27
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole
SMILESC1=CC2CC2c2c1oc1c(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)c3)cccc21
InChIInChI=1S/C52H34N4O/c1-3-13-32(14-4-1)50-53-51(33-15-5-2-6-16-33)55-52(54-50)37-19-10-20-38(30-37)56-45-26-8-7-21-41(45)42-24-11-22-39(48(42)56)34-17-9-18-35(29-34)40-23-12-25-43-47-44-31-36(44)27-28-46(47)57-49(40)43/h1-30,36,44H,31H2
InChIKeyWSOAVPXHTORZMH-UHFFFAOYSA-N
XLogP13.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole with MolForge

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-oxa-3-azahexacyclo[11.9.0.02,10.04,9.016,22.019,21]docosa-1(13),2(10),4,6,8,11,16(22),17-octaen-14-one
CID 144886936
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142568378
1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
CID 142568284
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
1-dibenzofuran-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 130191498
1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142569274
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(3-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 163856117
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517577
12-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701826
12-[3-(4-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163856123
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole (CID 142569011) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole is C1=CC2CC2c2c1oc1c(-c3cccc(-c4cccc5c6ccccc6n(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)c3)cccc21.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole?
The InChIKey is WSOAVPXHTORZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-3-13-32(14-4-1)50-53-51(33-15-5-2-6-16-33)55-52(54-50)37-19-10-20-38(30-37)56-45-26-8-7-21-41(45)42-24-11-22-39(48(42)56)34-17-9-18-35(29-34)40-23-12-25-43-47-44-31-36(44)27-28-46(47)57-49(40)43/h1-30,36,44H,31H2.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole has a molecular weight of 730.87 g/mol, XLogP of 13.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(8-oxatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10-pentaen-6-yl)phenyl]carbazole is sourced from PubChem (CID 142569011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).